SCHEMBL7019120

SCHEMBL7019120

NC(Cc1ccccc1)C(=O)OCCO

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 2/20 0.59
▸ ALPI P09923 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ PTGS1 P23219 1/20 0.59
▸ XIAP P98170 1/20 0.59
▸ SLC15A1 P46059 2/20 0.51
▸ LTA4H P09960 1/20 0.49
▸ CTSC P53634 1/20 0.48
▸ SLC1A3 P43003 2/20 0.47
▸ SLC1A2 P43004 2/20 0.47
▸ SLC1A1 P43005 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.46
▸ SRR Q9GZT4 2/20 0.46
▸ CYP1A2 P05177 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1147651 1.00 SLC7A5 (0.59) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL26359430 0.91 ALPI (0.66) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL15679078 0.91 ALPI (0.66) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2436027 0.91 SLC7A5 (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL15271156 0.90 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL14095409 0.88 ALPI (0.61) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL6368998 0.88 ALPI (0.61) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL17460100 0.87 SLC7A5 (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL23542514 0.86 ALPI (0.59) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL18274697 0.86 ALPI (0.59) SLC7A5ALPIPKMPTGS1XIAP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232860-A1 Medicine comprising dicyanopyridine derivative ASTELLAS PHARMA INC. (JP) 2003-12-18 — — US claimed
EP-1302463-A1 MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-16 — — EP claimed
EP-3566701-A1 DEUTERIUM SUBSTITUTED FUMARATE DERIVATIVES Biogen MA Inc. (US) 2019-11-13 — — EP disclosed
US-10399924-B2 Deuterium substituted fumarate derivatives BIOGEN MA INC. (US) 2019-09-03 — — US disclosed
EP-2934503-B1 DEUTERIUM SUBSTITUTED FUMARATE DERIVATIVES BIOGEN MA INC (US) 2019-04-10 — — EP disclosed
CN-105142628-A Deuterium substituted fumarate derivatives BIOGEN IDEC INC 2015-12-09 — — CN disclosed
EP-2934503-A1 DEUTERIUM SUBSTITUTED FUMARATE DERIVATIVES Biogen MA Inc. (US) 2015-10-28 — — EP disclosed
US-20140194427-A1 Deuterium Substituted Fumarate Derivatives BIOGEN IDEC MA INC. (US) 2014-07-10 — — US disclosed
WO-2014100728-A1 DEUTERIUM SUBSTITUTED FUMARATE DERIVATIVES BIOGEN IDEC MA INC. (US) 2014-06-26 — — WO disclosed
US-20140117280-A1 OXYGEN ABSORBER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-05-01 — — US disclosed
US-20140117280-A1 OXYGEN ABSORBER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-05-01 — — US disclosed
US-7754771-B2 Compounds for the treatment of AIDS and other viral diseases NOVAREMED LIMITED (IL) 2010-07-13 — — US disclosed
US-20100069454-A1 Novel compounds for use in the treatment of autoimmune diseases, immuno-allergical diseases and organ or tissue transplantation rejection NOVAREMED LIMITED (IL) 2010-03-18 — — US disclosed
US-20100069454-A1 Novel compounds for use in the treatment of autoimmune diseases, immuno-allergical diseases and organ or tissue transplantation rejection NOVAREMED LIMITED (IL) 2010-03-18 — — US disclosed
US-7674829-B2 Compounds for the treatment of AIDS and other viral diseases NOVAREMED LIMITED (IL) 2010-03-09 — — US disclosed
US-7674829-B2 Compounds for the treatment of AIDS and other viral diseases NOVAREMED LIMITED (IL) 2010-03-09 — — US disclosed
US-7642290-B2 lupus erythematosus; enoephalomyelitis; graft-versus-host disease NOVAREMED LIMITED (IL) 2010-01-05 — — US disclosed
US-7642290-B2 lupus erythematosus; enoephalomyelitis; graft-versus-host disease NOVAREMED LIMITED (IL) 2010-01-05 — — US disclosed
US-20030232860-A1 Medicine comprising dicyanopyridine derivative ASTELLAS PHARMA INC. (JP) 2003-12-18 — — US disclosed
EP-1302463-A1 MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-16 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10399924-B2 Deuterium substituted fumarate derivatives FH, HTT, FAHD1 SLC7A5 2424/4885ALPI 3981/4885PKM 1172/4885
US-20140194427-A1 Deuterium Substituted Fumarate Derivatives FH, HTT, SDHB SLC7A5 1277/4885ALPI 2946/4885PKM 940/4885
US-20100069454-A1 Novel compounds for use in the treatment of autoimmune diseases, immuno-allergical diseases and organ or tissue transplantation rejection TSLP, HLA-DRB1, MRGPRX2 SLC7A5 3844/4885ALPI 1218/4885PKM 4171/4885
US-20030232860-A1 Medicine comprising dicyanopyridine derivative KCNN3, KCNN2, KCNN1 SLC7A5 1295/4885ALPI 966/4885PKM 150/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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